CID 63429

4(1h)-quinazolinone, 2,3-dihydro-3-(p-bromophenyl)-1-(morpholinoacetyl)-, hydrochloride

Structural Information

Molecular Formula
C20H20BrN3O3
SMILES
C1COCCN1CC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H20BrN3O3/c21-15-5-7-16(8-6-15)23-14-24(18-4-2-1-3-17(18)20(23)26)19(25)13-22-9-11-27-12-10-22/h1-8H,9-14H2
InChIKey
XHHWATCCJDICRT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(2-morpholin-4-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.0688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.07608 191.1
[M+Na]+ 452.05802 195.5
[M+NH4]+ 447.10262 194.1
[M+K]+ 468.03196 194.6
[M-H]- 428.06152 194.6
[M+Na-2H]- 450.04347 193.7
[M]+ 429.06825 191.5
[M]- 429.06935 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.